Energy and Reactivity Profile and Proton Affinity Analysis of Rimegepant with Special Reference to its Potential Activity against SARS-Cov-2 Virus Proteins using Molecular Dynamics T Pooventhiran, EF Marondedze, PP Govender, U Bhattacharyya, DJ Rao, ... Journal of Molecular Modeling, 2021 | 18 | 2021 |
Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules EF Marondedze, KK Govender, PP Govender Journal of Molecular Graphics and Modelling 101, 107711, 2020 | 15 | 2020 |
Computational investigation of the binding characteristics of β-amyloid fibrils EF Marondedze, KK Govender, PP Govender Biophysical chemistry 256, 106281, 2020 | 10 | 2020 |
Emerging Nanomaterials in Healthcare EF Marondedze, LO Olasunkanmi, A Singh, PP Govender Emerging Nanomaterials and Their Impact on Society in the 21st Century 135 …, 2023 | 1 | 2023 |
Exploiting the glycan receptor-binding site of PltB subunit in salmonella typhi toxin for novel inhibitors: An in-silico approach EF Marondedze, PP Govender Journal of Molecular Graphics and Modelling 111, 108082, 2022 | 1 | 2022 |
Carbon nanotube as catalyst support in wet air oxidation of water treatment EM Kiarii, WW Anku, EF Marondedze, PP Govender Water Treatment Using Engineered Carbon Nanotubes, 413-432, 2024 | | 2024 |
Nanoenzyme-Based Electrodes in Biomolecular Screening and Analysis EF Marondedze, LO Olasunkanmi, A Singh, PP Govender Handbook of Nanobioelectrochemistry: Application in Devices and Biomolecular …, 2023 | | 2023 |
In-silico design of a novel probe for the potential early detection of Alzheimer's disease EF Marondedze, KK Govender, PP Govender University of Johannesburg, 2020 | | 2020 |
Density Functional Theory (DFT) studies for the ring opening mechanism of tetraethyl 2-aryl-1, 2-epoxygembisphosphonates EF Marondedze PQDT-Global, 2016 | | 2016 |
Computational Profiling of the Fast, Base-Free Synthesis of Quinolin-2 (1h)-Ones BF Masora, PP Govender, EF Marondedze, K Govender Base-Free Synthesis of Quinolin-2 (1h)-Ones, 0 | | |
High-throughput screening of South African medicinal plants in the search for novel anti-viral drug leads against SARS-CoV-2 L Invernizzi, P Moyo, I Tietjen, J Cassel, ET Register, F Keeney, ... Delta 1 (9.5), 7.4, 0 | | |